Molecule

ID:14402

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO₃
Molecular Mass
269.72404
Exact Mass
269.08187106
Charge
0
InChI
InChI=1S/C13H16ClNO3/c14-11-7-4-3-6-10(11)13(18)15-9-5-1-2-8-12(16)17/h3-4,6-7H,1-2,5,8-9H2,(H,15,18)(H,16,17)
InChIKey
QHWGGDIMBONNGY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCNC(=O)c1ccccc1Cl
Isomeric Smiles
c1(c(cccc1)Cl)C(=O)NCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.9943483
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0294881
LogD (pH = 7.4)
-0.61790425
Log P
2.5444014
Molar Refractivity
69.5789
Polarizability
26.661846
Polar Surface Area
66.4
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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